2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine

C11H21NOS — CID 117228931

IUPAC2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCCSC2)O1
InChIInChI=1S/C11H21NOS/c1-9-7-12-11(2,13-9)6-10-4-3-5-14-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyKSZARQUBKRYEPN-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.24
Rot. Bonds2

About 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine

2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine (PubChem CID 117228931) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
PubChem CID117228931
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCCSC2)O1
InChIInChI=1S/C11H21NOS/c1-9-7-12-11(2,13-9)6-10-4-3-5-14-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyKSZARQUBKRYEPN-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine (CID 117228931) is 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine is CC1CNC(C)(CC2CCCSC2)O1.
What is the InChIKey of 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine?
The InChIKey is KSZARQUBKRYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-7-12-11(2,13-9)6-10-4-3-5-14-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine?
2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine has a molecular weight of 215.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 117228931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).